(2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide

C15H13ClN2O3S — CID 124523220

IUPAC(2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide
SMILESNC(=O)[C@@H]1Nc2ccc(Cl)cc2[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,13-14,18H,(H2,17,19)/t13-,14-/m1/s1
InChIKeySLAXPQTVSBFEQX-ZIAGYGMSSA-N
MW336.80 g/mol
LogP2.13
Rot. Bonds3

About (2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide

(2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 124523220) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is (2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID124523220
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name(2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide
SMILESNC(=O)[C@@H]1Nc2ccc(Cl)cc2[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,13-14,18H,(H2,17,19)/t13-,14-/m1/s1
InChIKeySLAXPQTVSBFEQX-ZIAGYGMSSA-N
XLogP2.13
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide (CID 124523220) is (2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide is NC(=O)[C@@H]1Nc2ccc(Cl)cc2[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is SLAXPQTVSBFEQX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,13-14,18H,(H2,17,19)/t13-,14-/m1/s1.
What are the key properties of (2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide?
(2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 336.80 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(benzenesulfonyl)-5-chloro-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 124523220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).